Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8945728 | 0.79 | CYP1A2 (0.48) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL27504183 | 0.77 | CYP1A2 (0.52) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL1310699 | 0.77 | CYP1A2 (0.52) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL262672 | 0.77 | CYP2C19 (0.47) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL11628103 | 0.77 | CYP1A2 (0.52) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL3384635 | 0.76 | CYP1A2 (0.56) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL7617984 | 0.74 | CYP1A2 (0.48) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL22341259 | 0.74 | HIF1A (0.48) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL22341285 | 0.74 | HIF1A (0.48) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 | |
| SCHEMBL15125014 | 0.74 | CYP1A2 (0.48) | CYP1A2ALDH1A1TSHRHIF1ACYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6215006-B1 | HYDROGEN CHLORIDE REMOVAL; ESTERIFICATION; DECHLORINATION; DEHYDROHALOGENATION | CLARIANT GMBH (DE) | 2001-04-10 | — | — | US | disclosed |